N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride

C19H30ClN5O4 — CID 42609624

IUPACN-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1cc2c(cc1OC)C(N)N=C(N(C)CCCNC(=O)C1CCCO1)N2.Cl
InChIInChI=1S/C19H29N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14,17H,4-9,20H2,1-3H3,(H,21,25)(H,22,23);1H
InChIKeyHTFQQSOJCQRYQE-UHFFFAOYSA-N
MW427.93 g/mol
LogP1.48
Rot. Bonds7

About N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride

N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 42609624) has the molecular formula C19H30ClN5O4 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
PubChem CID42609624
Molecular FormulaC19H30ClN5O4
Molecular Weight427.93 g/mol
Exact Mass427.20
IUPAC NameN-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1cc2c(cc1OC)C(N)N=C(N(C)CCCNC(=O)C1CCCO1)N2.Cl
InChIInChI=1S/C19H29N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14,17H,4-9,20H2,1-3H3,(H,21,25)(H,22,23);1H
InChIKeyHTFQQSOJCQRYQE-UHFFFAOYSA-N
XLogP1.48
TPSA110.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride (CID 42609624) is N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride is COc1cc2c(cc1OC)C(N)N=C(N(C)CCCNC(=O)C1CCCO1)N2.Cl.
What is the InChIKey of N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is HTFQQSOJCQRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14,17H,4-9,20H2,1-3H3,(H,21,25)(H,22,23);1H.
What are the key properties of N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-6,7-dimethoxy-1,4-dihydroquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 42609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).